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

37
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 155.4
[M+Na]+ 177.01899 163.0
[M+NH4]+ 172.06359 156.2
[M+K]+ 192.99293 153.7
[M-H]- 153.02249 144.3
[M+Na-2H]- 175.00444 153.6
[M]+ 154.02922 152.2
[M]- 154.03032 152.2
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