CID 12429495

Schembl20678298

Structural Information

Molecular Formula
C4H4ClN
SMILES
C/C(=C/Cl)/C#N
InChI
InChI=1S/C4H4ClN/c1-4(2-5)3-6/h2H,1H3/b4-2-
InChIKey
SRNADAWHRWZEFE-RQOWECAXSA-N
Compound name
(Z)-3-chloro-2-methylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

101.00323 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.010506 116.4
[M+Na]+ 123.992448 127.3
[M-H]- 99.995954 117.7
[M+NH4]+ 119.037053 138.3
[M+K]+ 139.966388 124.8
[M+H-H2O]+ 84.000490 107.0
[M+HCOO]- 146.001431 132.7
[M+CH3COO]- 160.017081 179.5
[M+Na-2H]- 121.977896 122.9
[M]+ 101.00268142 112.4
[M]- 101.00377858 112.4
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