CID 13035019

Resorcinol compound 6

Structural Information

Molecular Formula
C14H12O4
SMILES
C1OC2=C(O1)C=C(C=C2)CC3=C(C=C(C=C3)O)O
InChI
InChI=1S/C14H12O4/c15-11-3-2-10(12(16)7-11)5-9-1-4-13-14(6-9)18-8-17-13/h1-4,6-7,15-16H,5,8H2
InChIKey
KUMBCKZCFIONIT-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-ylmethyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

244.07356 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 150.7
[M+Na]+ 267.06278 159.7
[M-H]- 243.06628 157.8
[M+NH4]+ 262.10738 167.2
[M+K]+ 283.03672 157.9
[M+H-H2O]+ 227.07082 145.1
[M+HCOO]- 289.07176 170.3
[M+CH3COO]- 303.08741 163.9
[M+Na-2H]- 265.04823 157.0
[M]+ 244.07301 152.6
[M]- 244.07411 152.6
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