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

39
Patents

154.02977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03705 145.5
[M+Na]+ 177.01899 155.0
[M-H]- 153.02249 148.0
[M+NH4]+ 172.06359 160.1
[M+K]+ 192.99293 152.4
[M+H-H2O]+ 137.02703 132.3
[M+HCOO]- 199.02797 153.9
[M+CH3COO]- 213.04362 211.8
[M+Na-2H]- 175.00444 146.3
[M]+ 154.02922 138.2
[M]- 154.03032 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