CID 12414171

4-fluoro-1-isocyanato-2-methylbenzene

Structural Information

Molecular Formula
C8H6FNO
SMILES
CC1=C(C=CC(=C1)F)N=C=O
InChI
InChI=1S/C8H6FNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
InChIKey
MIMYFVDQCNYWNL-UHFFFAOYSA-N
Compound name
4-fluoro-1-isocyanato-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

151.04333 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05061 128.6
[M+Na]+ 174.03255 141.5
[M+NH4]+ 169.07715 136.9
[M+K]+ 190.00649 134.5
[M-H]- 150.03605 130.4
[M+Na-2H]- 172.01800 136.0
[M]+ 151.04278 130.8
[M]- 151.04388 130.8
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