CID 23513711

40797-97-5

Structural Information

Molecular Formula
C7H7ClN2
SMILES
CC(C)C(=C(C#N)C#N)Cl
InChI
InChI=1S/C7H7ClN2/c1-5(2)7(8)6(3-9)4-10/h5H,1-2H3
InChIKey
BISBJAKHNKLYHE-UHFFFAOYSA-N
Compound name
2-(1-chloro-2-methylpropylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

154.02977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.037046 145.5
[M+Na]+ 177.018988 155.0
[M-H]- 153.022494 148.0
[M+NH4]+ 172.063593 160.1
[M+K]+ 192.992928 152.4
[M+H-H2O]+ 137.027030 132.3
[M+HCOO]- 199.027971 153.9
[M+CH3COO]- 213.043621 211.8
[M+Na-2H]- 175.004436 146.3
[M]+ 154.02922142 138.2
[M]- 154.03031858 138.2
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