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

9
Patents

135.04843 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05571 127.6
[M+Na]+ 158.03765 138.8
[M-H]- 134.04115 129.0
[M+NH4]+ 153.08225 146.8
[M+K]+ 174.01159 130.8
[M+H-H2O]+ 118.04569 120.2
[M+HCOO]- 180.04663 147.0
[M+CH3COO]- 194.06228 179.0
[M+Na-2H]- 156.02310 134.6
[M]+ 135.04788 118.6
[M]- 135.04898 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