CID 2769350

5-fluoro-2-methylbenzoxazole

Structural Information

Molecular Formula
C8H6FNO
SMILES
CC1=NC2=C(O1)C=CC(=C2)F
InChI
InChI=1S/C8H6FNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey
GYRZYFSJULFMCS-UHFFFAOYSA-N
Compound name
5-fluoro-2-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

115
Patents

151.04333 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05061 123.3
[M+Na]+ 174.03255 135.8
[M-H]- 150.03605 127.2
[M+NH4]+ 169.07715 145.5
[M+K]+ 190.00649 134.2
[M+H-H2O]+ 134.04059 117.1
[M+HCOO]- 196.04153 147.4
[M+CH3COO]- 210.05718 139.2
[M+Na-2H]- 172.01800 132.6
[M]+ 151.04278 126.2
[M]- 151.04388 126.2
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

patents stripe