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

12
Patents

135.04843 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05571 128.2
[M+Na]+ 158.03765 138.6
[M-H]- 134.04115 129.3
[M+NH4]+ 153.08225 147.2
[M+K]+ 174.01159 130.5
[M+H-H2O]+ 118.04569 120.5
[M+HCOO]- 180.04663 147.7
[M+CH3COO]- 194.06228 178.1
[M+Na-2H]- 156.02310 135.8
[M]+ 135.04788 119.0
[M]- 135.04898 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