CID 55253154

1-fluoro-3-isocyano-2-methylbenzene

Structural Information

Molecular Formula
C8H6FN
SMILES
CC1=C(C=CC=C1F)[N+]#[C-]
InChI
InChI=1S/C8H6FN/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1H3
InChIKey
CRCLWPWCMHVFBN-UHFFFAOYSA-N
Compound name
1-fluoro-3-isocyano-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

135.04843 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.055706 127.6
[M+Na]+ 158.037648 138.8
[M-H]- 134.041154 129.0
[M+NH4]+ 153.082253 146.8
[M+K]+ 174.011588 130.8
[M+H-H2O]+ 118.045690 120.2
[M+HCOO]- 180.046631 147.0
[M+CH3COO]- 194.062281 179.0
[M+Na-2H]- 156.023096 134.6
[M]+ 135.04788142 118.6
[M]- 135.04897858 118.6
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