CID 11205773

(2e)-4-chloro-2-methylbut-2-enoic acid

Structural Information

Molecular Formula
C5H7ClO2
SMILES
C/C(=C\CCl)/C(=O)O
InChI
InChI=1S/C5H7ClO2/c1-4(2-3-6)5(7)8/h2H,3H2,1H3,(H,7,8)/b4-2+
InChIKey
ZDSZDMJETWINGZ-DUXPYHPUSA-N
Compound name
(E)-4-chloro-2-methylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

134.01346 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 123.9
[M+Na]+ 157.00268 134.5
[M+NH4]+ 152.04728 131.5
[M+K]+ 172.97662 129.7
[M-H]- 133.00618 122.2
[M+Na-2H]- 154.98813 127.1
[M]+ 134.01291 124.9
[M]- 134.01401 124.9
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