CID 91723064

Pgcyghfuwcvpsv-uhfffaoysa-n

Structural Information

Molecular Formula
C10H13ClO2
SMILES
CC(C)OC1=C(C=C(C=C1)OC)Cl
InChI
InChI=1S/C10H13ClO2/c1-7(2)13-10-5-4-8(12-3)6-9(10)11/h4-7H,1-3H3
InChIKey
PGCYGHFUWCVPSV-UHFFFAOYSA-N
Compound name
2-chloro-4-methoxy-1-propan-2-yloxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06041 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06769 139.3
[M+Na]+ 223.04963 148.7
[M-H]- 199.05313 143.4
[M+NH4]+ 218.09423 160.0
[M+K]+ 239.02357 146.2
[M+H-H2O]+ 183.05767 134.8
[M+HCOO]- 245.05861 158.6
[M+CH3COO]- 259.07426 185.3
[M+Na-2H]- 221.03508 144.1
[M]+ 200.05986 144.7
[M]- 200.06096 144.7
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.