CID 2758962

1-fluoro-2-(isocyanomethyl)benzene

Structural Information

Molecular Formula
C8H6FN
SMILES
[C-]#[N+]CC1=CC=CC=C1F
InChI
InChI=1S/C8H6FN/c1-10-6-7-4-2-3-5-8(7)9/h2-5H,6H2
InChIKey
MCNREKRSJDEJPJ-UHFFFAOYSA-N
Compound name
1-fluoro-2-(isocyanomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

135.04843 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.055706 128.2
[M+Na]+ 158.037648 138.6
[M-H]- 134.041154 129.3
[M+NH4]+ 153.082253 147.2
[M+K]+ 174.011588 130.5
[M+H-H2O]+ 118.045690 120.5
[M+HCOO]- 180.046631 147.7
[M+CH3COO]- 194.062281 178.1
[M+Na-2H]- 156.023096 135.8
[M]+ 135.04788142 119.0
[M]- 135.04897858 119.0
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

patents stripe