CID 62669511

1-(2-chloro-6-fluorophenyl)cyclopropan-1-ol

Structural Information

Molecular Formula
C9H8ClFO
SMILES
C1CC1(C2=C(C=CC=C2Cl)F)O
InChI
InChI=1S/C9H8ClFO/c10-6-2-1-3-7(11)8(6)9(12)4-5-9/h1-3,12H,4-5H2
InChIKey
NICQKYAORFWDGI-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02477 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.032046 128.6
[M+Na]+ 209.013988 140.4
[M-H]- 185.017494 134.3
[M+NH4]+ 204.058593 146.0
[M+K]+ 224.987928 136.1
[M+H-H2O]+ 169.022030 123.7
[M+HCOO]- 231.022971 146.7
[M+CH3COO]- 245.038621 181.0
[M+Na-2H]- 206.999436 135.8
[M]+ 186.02422142 131.2
[M]- 186.02531858 131.2
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

No patent data available for this compound.