CID 63187971

2-fluoro-4-(5-methyl-1,3-benzoxazol-2-yl)aniline

Structural Information

Molecular Formula
C14H11FN2O
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)N)F
InChI
InChI=1S/C14H11FN2O/c1-8-2-5-13-12(6-8)17-14(18-13)9-3-4-11(16)10(15)7-9/h2-7H,16H2,1H3
InChIKey
SQQKPNANHXDYLZ-UHFFFAOYSA-N
Compound name
2-fluoro-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08554 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.092816 151.3
[M+Na]+ 265.074758 163.5
[M-H]- 241.078264 158.2
[M+NH4]+ 260.119363 169.3
[M+K]+ 281.048698 159.2
[M+H-H2O]+ 225.082800 143.2
[M+HCOO]- 287.083741 175.1
[M+CH3COO]- 301.099391 165.3
[M+Na-2H]- 263.060206 157.3
[M]+ 242.08499142 153.0
[M]- 242.08608858 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.