CID 137964545

2307782-34-7

Structural Information

Molecular Formula
C6H7ClO4
SMILES
COC(=O)[C@]1(C[C@@H]1C(=O)O)Cl
InChI
InChI=1S/C6H7ClO4/c1-11-5(10)6(7)2-3(6)4(8)9/h3H,2H2,1H3,(H,8,9)/t3-,6-/m1/s1
InChIKey
QJDXLZDPYTWCAC-AWFVSMACSA-N
Compound name
(1R,2R)-2-chloro-2-methoxycarbonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.00328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01056 129.6
[M+Na]+ 200.99250 140.4
[M-H]- 176.99600 133.6
[M+NH4]+ 196.03710 147.0
[M+K]+ 216.96644 138.0
[M+H-H2O]+ 161.00054 127.0
[M+HCOO]- 223.00148 146.9
[M+CH3COO]- 237.01713 178.4
[M+Na-2H]- 198.97795 134.7
[M]+ 178.00273 135.9
[M]- 178.00383 135.9
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

No patent data available for this compound.