CID 68759718

3-chloro-4-(cyclopropylmethoxy)phenol

Structural Information

Molecular Formula
C10H11ClO2
SMILES
C1CC1COC2=C(C=C(C=C2)O)Cl
InChI
InChI=1S/C10H11ClO2/c11-9-5-8(12)3-4-10(9)13-6-7-1-2-7/h3-5,7,12H,1-2,6H2
InChIKey
UEPDUBBJXPLRQY-UHFFFAOYSA-N
Compound name
3-chloro-4-(cyclopropylmethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.04475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.052026 135.3
[M+Na]+ 221.033968 146.0
[M-H]- 197.037474 141.8
[M+NH4]+ 216.078573 150.4
[M+K]+ 237.007908 141.4
[M+H-H2O]+ 181.042010 130.0
[M+HCOO]- 243.042951 154.6
[M+CH3COO]- 257.058601 183.7
[M+Na-2H]- 219.019416 141.4
[M]+ 198.04420142 140.3
[M]- 198.04529858 140.3
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

patents stripe