CID 34

2-chloroethanol

Structural Information

Molecular Formula
C2H5ClO
SMILES
C(CCl)O
InChI
InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
InChIKey
SZIFAVKTNFCBPC-UHFFFAOYSA-N
Compound name
2-chloroethanol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

379
References

46378
Patents

80.00289 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.010166 109.1
[M+Na]+ 102.992108 118.3
[M-H]- 78.995614 108.5
[M+NH4]+ 98.036713 133.5
[M+K]+ 118.966048 116.6
[M+H-H2O]+ 63.000150 106.8
[M+HCOO]- 125.001091 128.4
[M+CH3COO]- 139.016741 158.4
[M+Na-2H]- 100.977556 117.6
[M]+ 80.00234142 110.1
[M]- 80.00343858 110.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe