CID 16217466

2-chloro-6-methylphenyl isocyanide

Structural Information

Molecular Formula
C8H6ClN
SMILES
CC1=C(C(=CC=C1)Cl)[N+]#[C-]
InChI
InChI=1S/C8H6ClN/c1-6-4-3-5-7(9)8(6)10-2/h3-5H,1H3
InChIKey
FUJFVLJRBCVMHT-UHFFFAOYSA-N
Compound name
1-chloro-2-isocyano-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

151.01888 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.026156 134.2
[M+Na]+ 174.008098 146.0
[M-H]- 150.011604 136.5
[M+NH4]+ 169.052703 153.6
[M+K]+ 189.982038 136.5
[M+H-H2O]+ 134.016140 128.4
[M+HCOO]- 196.017081 150.3
[M+CH3COO]- 210.032731 180.0
[M+Na-2H]- 171.993546 140.9
[M]+ 151.01833142 127.9
[M]- 151.01942858 127.9
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