CID 80403

1-(2-chlorophenyl)-2-methylpropan-2-ol

Structural Information

Molecular Formula
C10H13ClO
SMILES
CC(C)(CC1=CC=CC=C1Cl)O
InChI
InChI=1S/C10H13ClO/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,12H,7H2,1-2H3
InChIKey
VPCZPZMZROSBOP-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06549 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 138.4
[M+Na]+ 207.05471 152.1
[M+NH4]+ 202.09931 147.7
[M+K]+ 223.02865 145.2
[M-H]- 183.05821 140.3
[M+Na-2H]- 205.04016 145.7
[M]+ 184.06494 141.3
[M]- 184.06604 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.