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]+ 243.09282 151.3
[M+Na]+ 265.07476 163.5
[M-H]- 241.07826 158.2
[M+NH4]+ 260.11936 169.3
[M+K]+ 281.04870 159.2
[M+H-H2O]+ 225.08280 143.2
[M+HCOO]- 287.08374 175.1
[M+CH3COO]- 301.09939 165.3
[M+Na-2H]- 263.06021 157.3
[M]+ 242.08499 153.0
[M]- 242.08609 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.