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]+ 199.05203 135.3
[M+Na]+ 221.03397 146.0
[M-H]- 197.03747 141.8
[M+NH4]+ 216.07857 150.4
[M+K]+ 237.00791 141.4
[M+H-H2O]+ 181.04201 130.0
[M+HCOO]- 243.04295 154.6
[M+CH3COO]- 257.05860 183.7
[M+Na-2H]- 219.01942 141.4
[M]+ 198.04420 140.3
[M]- 198.04530 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