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

43
Patents

151.01888 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.02616 134.2
[M+Na]+ 174.00810 146.0
[M-H]- 150.01160 136.5
[M+NH4]+ 169.05270 153.6
[M+K]+ 189.98204 136.5
[M+H-H2O]+ 134.01614 128.4
[M+HCOO]- 196.01708 150.3
[M+CH3COO]- 210.03273 180.0
[M+Na-2H]- 171.99355 140.9
[M]+ 151.01833 127.9
[M]- 151.01943 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